CAS RN: 391682-51-2
(E)-Cinnamyl-(Z)-p-coumarate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260418 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS391682-51-2
- Purity/Analytical Methods: >99.0%
391682-51-2 / [(E)-3-phenylprop-2-enyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Basic Information
CAS
391682-51-2
Multi CAS
Yes
Molecular Formula
C18H16O3
Molecular Weight
280.300000
Exact Mass
280.109944
InChI
InChI=1S/C18H16O3/c19-17-11-8-16(9-12-17)10-13-18(20)21-14-4-7-15-5-2-1-3-6-15/h1-13,19H,14H2/b7-4+,13-10+
InChIKey
JDBSEUVQZVQSCN-NJPWYCGFSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.06
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
83.58
TPSA
46.53
LogP / Solubility
WLOGP
3.66
MLOGP
3.23
XLogP3
4.1
Consensus LogP
3.66
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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